(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one

C14H24O2 — CID 134965647

IUPAC(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one
SMILESCCCCC1(CCCC)O[C@@H](C2CC2)C1=O
InChIInChI=1S/C14H24O2/c1-3-5-9-14(10-6-4-2)13(15)12(16-14)11-7-8-11/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyDSLSDOLWPSSFNE-LBPRGKRZSA-N
MW224.34 g/mol
LogP3.48
Rot. Bonds7

About (4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one

(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one (PubChem CID 134965647) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one.

Molecular Properties

Compound Name(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one
PubChem CID134965647
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one
SMILESCCCCC1(CCCC)O[C@@H](C2CC2)C1=O
InChIInChI=1S/C14H24O2/c1-3-5-9-14(10-6-4-2)13(15)12(16-14)11-7-8-11/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyDSLSDOLWPSSFNE-LBPRGKRZSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2,2-dibutyl-4-(2-methylpropyl)oxetan-3-one
CID 134965703
7-Oxabicyclo[14.1.0]heptadecane-5,9-dione
CID 57158774
1-Cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 58375737
(1-Cyclopropyl-3,7,7-trideuterio-4-methyl-2-oxooctan-3-yl) acetate
CID 58519804
2-(Cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143476
2-(Cyclopentylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143487
1-Cyclobutyl-2-ethoxy-5-methylhexan-3-one
CID 59143493
2-(Cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one
CID 59143495
5-Methyl-1-(2-methylcyclopropyl)-2-propoxyhexan-3-one
CID 59143534
1-Cyclobutyl-2-(cyclopropylmethoxy)-5,5-dimethylhexan-3-one
CID 59143538
2-Ethoxy-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143542
1-Cyclobutyl-5-methyl-2-propoxyhexan-3-one
CID 59143548

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one?
The IUPAC name of (4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one (CID 134965647) is (4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one.
What is the SMILES notation for (4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one?
The canonical SMILES for (4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one is CCCCC1(CCCC)O[C@@H](C2CC2)C1=O.
What is the InChIKey of (4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one?
The InChIKey is DSLSDOLWPSSFNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-9-14(10-6-4-2)13(15)12(16-14)11-7-8-11/h11-12H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one?
(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one has a molecular weight of 224.34 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one is sourced from PubChem (CID 134965647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).